2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one

C13H20N2O2 — CID 66022540

IUPAC2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCC1O)CCCC2
InChIInChI=1S/C13H20N2O2/c16-12-8-4-3-7-11(12)15-13(17)9-5-1-2-6-10(9)14-15/h11-12,14,16H,1-8H2
InChIKeyNVEBMUIZDIYGHU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds1

About 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one

2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 66022540) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID66022540
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCC1O)CCCC2
InChIInChI=1S/C13H20N2O2/c16-12-8-4-3-7-11(12)15-13(17)9-5-1-2-6-10(9)14-15/h11-12,14,16H,1-8H2
InChIKeyNVEBMUIZDIYGHU-UHFFFAOYSA-N
XLogP1.53
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 66022540) is 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one is O=c1c2c([nH]n1C1CCCCC1O)CCCC2.
What is the InChIKey of 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is NVEBMUIZDIYGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12-8-4-3-7-11(12)15-13(17)9-5-1-2-6-10(9)14-15/h11-12,14,16H,1-8H2.
What are the key properties of 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 236.31 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 66022540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).